2-[(3-methylimidazol-4-yl)methoxy]ethanamine

C7H13N3O — CID 106938056

IUPAC2-[(3-methylimidazol-4-yl)methoxy]ethanamine
SMILESCn1cncc1COCCN
InChIInChI=1S/C7H13N3O/c1-10-6-9-4-7(10)5-11-3-2-8/h4,6H,2-3,5,8H2,1H3
InChIKeyTZANFEROXQBCTG-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.10
Rot. Bonds4

About 2-[(3-methylimidazol-4-yl)methoxy]ethanamine

2-[(3-methylimidazol-4-yl)methoxy]ethanamine (PubChem CID 106938056) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-[(3-methylimidazol-4-yl)methoxy]ethanamine.

Molecular Properties

Compound Name2-[(3-methylimidazol-4-yl)methoxy]ethanamine
PubChem CID106938056
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-[(3-methylimidazol-4-yl)methoxy]ethanamine
SMILESCn1cncc1COCCN
InChIInChI=1S/C7H13N3O/c1-10-6-9-4-7(10)5-11-3-2-8/h4,6H,2-3,5,8H2,1H3
InChIKeyTZANFEROXQBCTG-UHFFFAOYSA-N
XLogP-0.10
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3-methylimidazol-4-yl)methoxy]propan-1-amine
CID 106938081
3-[(3-propylimidazol-4-yl)methoxy]propan-1-amine
CID 106938080
1-methyl-5-(propan-2-yloxymethyl)imidazole
CID 117192815
3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine
CID 106938076
[2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine
CID 66140699
(1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine
CID 66141718
[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 114318408
[3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 66141104
1-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]imidazole
CID 106938738
ethane;1-methyl-5-propylimidazole
CID 143528029
5-(2-chloroethyl)-1-methylimidazole
CID 55303356
5-[(2-fluoro-5-methylphenoxy)methyl]-1-methylimidazole
CID 66142376

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylimidazol-4-yl)methoxy]ethanamine?
The IUPAC name of 2-[(3-methylimidazol-4-yl)methoxy]ethanamine (CID 106938056) is 2-[(3-methylimidazol-4-yl)methoxy]ethanamine.
What is the SMILES notation for 2-[(3-methylimidazol-4-yl)methoxy]ethanamine?
The canonical SMILES for 2-[(3-methylimidazol-4-yl)methoxy]ethanamine is Cn1cncc1COCCN.
What is the InChIKey of 2-[(3-methylimidazol-4-yl)methoxy]ethanamine?
The InChIKey is TZANFEROXQBCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-10-6-9-4-7(10)5-11-3-2-8/h4,6H,2-3,5,8H2,1H3.
What are the key properties of 2-[(3-methylimidazol-4-yl)methoxy]ethanamine?
2-[(3-methylimidazol-4-yl)methoxy]ethanamine has a molecular weight of 155.20 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylimidazol-4-yl)methoxy]ethanamine is sourced from PubChem (CID 106938056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).